Information card for entry 2014359

Structure parameters

• Chemical name: catena-poly[[[(dinitrato-κ^2^O,O')cadmium(II)]-μ-2,2,7,7-tetramethyl- 1,2,3,6,7,8-hexahydrocinnolino[5,4,3-cde]cinnoline-κN^1^:κN^6^] chloroform solvate]
• Formula: C17 H21 Cd Cl3 N6 O6
• Calculated formula: C17 H21 Cd Cl3 N6 O6
• SMILES: [Cd]12(ON(=[O]1)=O)(ON(=[O]2)=O)[n]1c2c3c(CC(C2)(C)C)n[n](c2c3c(n1)CC(C2)(C)C)[Cd]12(ON(=[O]1)=O)(ON(=[O]2)=O)[n]1c2c3c(CC(C2)(C)C)nnc2c3c(n1)CC(C2)(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Cadmium nitrate coordination polymers with substituted pyridazino[4,5-<i>d</i>]pyridazines
• Authors of publication: Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Sieler, Joachim
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m70 - m73
• a: 12.257 ± 0.0012 Å
• b: 12.5085 ± 0.0011 Å
• c: 15.8471 ± 0.0014 Å
• α: 90°
• β: 102.687 ± 0.002°
• γ: 90°
• Cell volume: 2370.3 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes